N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-4-methoxybenzamide
Chemical Structure Depiction of
N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-4-methoxybenzamide
N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-4-methoxybenzamide
Compound characteristics
| Compound ID: | C592-1979 |
| Compound Name: | N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-4-methoxybenzamide |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C21 H23 N5 O3 S |
| Smiles: | CCn1c(CNC(c2ccc(cc2)OC)=O)nnc1SCC(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4263 |
| logD: | 2.4263 |
| logSw: | -2.8061 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.32 |
| InChI Key: | VTTKTTMRMZDZQC-UHFFFAOYSA-N |